CID 46739401

2-fluoro-5-hydroxyphenylboronic acid

Structural Information

Molecular Formula
C6H6BFO3
SMILES
B(C1=C(C=CC(=C1)O)F)(O)O
InChI
InChI=1S/C6H6BFO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H
InChIKey
XXJIHTFTQPUJFM-UHFFFAOYSA-N
Compound name
(2-fluoro-5-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

156.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04668 128.2
[M+Na]+ 179.02862 139.0
[M+NH4]+ 174.07322 135.1
[M+K]+ 195.00256 135.2
[M-H]- 155.03212 126.9
[M+Na-2H]- 177.01407 132.7
[M]+ 156.03885 129.0
[M]- 156.03995 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe